1-[(1S)-1-(3-fluorophenyl)ethyl]piperazine

C12H17FN2 — CID 51615755

IUPAC1-[(1S)-1-(3-fluorophenyl)ethyl]piperazine
SMILESC[C@@H](c1cccc(F)c1)N1CCNCC1
InChIInChI=1S/C12H17FN2/c1-10(15-7-5-14-6-8-15)11-3-2-4-12(13)9-11/h2-4,9-10,14H,5-8H2,1H3/t10-/m0/s1
InChIKeyIWMQSFIWSOPWQP-JTQLQIEISA-N
MW208.28 g/mol
LogP1.79
Rot. Bonds2

About 1-[(1S)-1-(3-fluorophenyl)ethyl]piperazine

1-[(1S)-1-(3-fluorophenyl)ethyl]piperazine (PubChem CID 51615755) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is 1-[(1S)-1-(3-fluorophenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-(3-fluorophenyl)ethyl]piperazine
PubChem CID51615755
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name1-[(1S)-1-(3-fluorophenyl)ethyl]piperazine
SMILESC[C@@H](c1cccc(F)c1)N1CCNCC1
InChIInChI=1S/C12H17FN2/c1-10(15-7-5-14-6-8-15)11-3-2-4-12(13)9-11/h2-4,9-10,14H,5-8H2,1H3/t10-/m0/s1
InChIKeyIWMQSFIWSOPWQP-JTQLQIEISA-N
XLogP1.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-(3-methylphenyl)ethyl]piperazine
CID 92754613
1-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]piperazine
CID 92754709
1-[(3-fluorophenyl)-(4-methylphenyl)methyl]piperazine
CID 3971092
1-[(1S)-1-(3-fluorophenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171305039
1-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]piperazine
CID 93464479
1-[1-(3-fluorophenyl)ethyl]-2-methylpiperazine
CID 64931500
1-[(1S)-1-phenylethyl]piperazine;dihydrochloride
CID 57383523
1-[1-[4-(4-fluorophenyl)phenyl]ethyl]piperazine
CID 22760403
1-[1-(3-chlorophenyl)ethyl]-1,4-diazepane
CID 5105220
1-[1-(3-chloro-4-fluorophenyl)ethyl]piperazine
CID 61057488
1-[(S)-(3-fluorophenyl)-thiophen-2-ylmethyl]piperazine
CID 92754518
2-[4-[1-(3-fluorophenyl)ethyl]piperazin-1-yl]ethanol
CID 110900456

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(3-fluorophenyl)ethyl]piperazine?
The IUPAC name of 1-[(1S)-1-(3-fluorophenyl)ethyl]piperazine (CID 51615755) is 1-[(1S)-1-(3-fluorophenyl)ethyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-(3-fluorophenyl)ethyl]piperazine?
The canonical SMILES for 1-[(1S)-1-(3-fluorophenyl)ethyl]piperazine is C[C@@H](c1cccc(F)c1)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-(3-fluorophenyl)ethyl]piperazine?
The InChIKey is IWMQSFIWSOPWQP-JTQLQIEISA-N. The full InChI is InChI=1S/C12H17FN2/c1-10(15-7-5-14-6-8-15)11-3-2-4-12(13)9-11/h2-4,9-10,14H,5-8H2,1H3/t10-/m0/s1.
What are the key properties of 1-[(1S)-1-(3-fluorophenyl)ethyl]piperazine?
1-[(1S)-1-(3-fluorophenyl)ethyl]piperazine has a molecular weight of 208.28 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(3-fluorophenyl)ethyl]piperazine is sourced from PubChem (CID 51615755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).